الاسم: {3-[(acetoxy)methyl]-2-{4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl}pyridin-4-yl}boronic acid
SMILES:
CC(=O)OCc1c(B(O)O)ccnc1N1CCn2c(cc3c2CC(C)(C)C3)C1=OMolecular Processing
Molecular formula
C20H24BN3O5
Molecular weight
397.24
Exact mass
397.1809
XLogP
0.41
TPSA
104.89
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
106.83
Supplementary Information
No supplementary data available
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